Products for Research Use Only
RegisterLogin

RORγt modulator 3

CAT: 0013-GTR19185031-03Size: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19185031-03Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
RORγt modulator 3 is a small molecule research compound targeting the retinoic acid receptor-related orphan receptor gamma-t. It serves as a pharmacological tool for investigating RORγt function in preclinical models of autoimmune, inflammatory, and oncological diseases, both in vitro and in vivo.
CAS Number
2230877-38-8
Field of Research
Metabolism Research
Smiles
ClC1=C ([C@H]2N (CCOC2) C3=CC=C (C (NCC4=CC=C (S (CC) (=O) =O) C=C4) =O) C=N3) C=CC (F) =C1
Molecular Formula
C25H25ClFN3O4S
Molecular Weight
518
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

ROR|At modulator 3
CAS Number2230877-38-8
PubChem CID164516810
IUPAC Name6-[(3R)-3-(2-chloro-4-fluorophenyl)morpholin-4-yl]-N-[(4-ethylsulfonylphenyl)methyl]pyridine-3-carboxamide
Molecular FormulaC25H25ClFN3O4S
Molecular Weight518.0
XLogP3.6
Topological Polar Surface Area97
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count35
Formal Charge0
Complexity805
SMILES
CCS(=O)(=O)C1=CC=C(C=C1)CNC(=O)C2=CN=C(C=C2)N3CCOC[C@H]3C4=C(C=C(C=C4)F)Cl
InChI
InChI=1S/C25H25ClFN3O4S/c1-2-35(32,33)20-7-3-17(4-8-20)14-29-25(31)18-5-10-24(28-15-18)30-11-12-34-16-23(30)21-9-6-19(27)13-22(21)26/h3-10,13,15,23H,2,11-12,14,16H2,1H3,(H,29,31)/t23-/m0/s1
InChIKey
LVVSOXAOIFQOIB-QHCPKHFHSA-N
Chemical Structure
2D Structure
2D structure of ROR|At modulator 3
CAS: 2230877-38-8
CID: 164516810
Formula: C25H25ClFN3O4S
MW: 518.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight518.0
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass517.1238333
Monoisotopic Mass517.1238333
Topological Polar Surface Area97 Ų
Heavy Atom Count35
Formal Charge0
Complexity805
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19185540-01RORγt modulator 4
GTR19212675-01RORγt modulator 5
GTR19184952-01RORγt modulator 2
GTR19199710-01ROR Modulator I
GTR19184602-01RORγt/DHODH-IN-3
GTR19184589-01RORγt agonist 3
GTR19204922-01RORγt Inverse agonist 3
GTR19204923-01RORγt agonist 1
GTR18895704ROR gamma T peptide
GTR19186139-01RORγt/DHODH-IN-2

Alternative Products

CatalogName
T72596-01RORγt modulator 5
HY-142935RORγt modulator 2
T63124-01RORγt modulator 4
HY-142936RORγt modulator 3
T24727-01ROR Modulator I
MBS131286-01ROR gama modulator 1
MBS3841553-01ROR gamma modulator 1
A16291-10ROR gamma modulator 1 10mg
A16291-25ROR gamma modulator 1 25mg
A16291-1ROR gamma modulator 1 1mg

Popular Products